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Thermodynamic-Ensemble Independence of Solvation Free Energy
Journal of Chemical Theory and Computation, 2015Solvation free energy is the fundamental thermodynamic quantity in solution chemistry. Recently, it has been suggested that the partial molar volume correction is necessary to convert the solvation free energy determined in different thermodynamic ensembles.
Song-Ho, Chong, Sihyun, Ham
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Partial Solvation Parameters and Mixture Thermodynamics
The Journal of Physical Chemistry B, 2012The recently introduced partial solvation parameters (PSPs) are molecular descriptors that combine elements from quantum mechanics with the QSPR/LSER/solvatochromic and solubility parameter approaches. Basic regularities and universalities exhibited by PSPs are examined in this work and the concepts of homosolvation, heterosolvation and solvation ...
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Chemosphere, 2012
Abraham solvation equations find widespread use in environmental chemistry. Until now, the intercept in these equations was determined by fitting experimental data. To simplify the determination of the coefficients in Abraham solvation equations, this study derives theoretical expressions for the value of the intercept for various partition processes ...
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Abraham solvation equations find widespread use in environmental chemistry. Until now, the intercept in these equations was determined by fitting experimental data. To simplify the determination of the coefficients in Abraham solvation equations, this study derives theoretical expressions for the value of the intercept for various partition processes ...
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Systematic Thermodynamics of Hydration (and of Solvation) of Inorganic Solids
Inorganic Chemistry, 2009The thermodynamics of the formation of solid and liquid inorganic hydrates and ammoniates is examined. In earlier studies, average values of the Gibbs energy of reaction, Delta(r)G, assuming a constant additivity per mole of bound water, have been obtained and have suggested that hydration is always marginally thermodynamically favorable. More detailed
Glasser, Leslie, Jones, Franca
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Russian Journal of General Chemistry, 2002
Applicability of a linear solvation-energy approach for descripition of the solvation enthalpies of nonelectrolytes is examined. In most cases a good fit of experimental solvation enthalpies can be attained. However, the resulting data are difficult to interpret in terms of different types of intermolecular interactions.
Solomonov B., Novikov V., Solomonov A.
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Applicability of a linear solvation-energy approach for descripition of the solvation enthalpies of nonelectrolytes is examined. In most cases a good fit of experimental solvation enthalpies can be attained. However, the resulting data are difficult to interpret in terms of different types of intermolecular interactions.
Solomonov B., Novikov V., Solomonov A.
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Proteins: Structure, Function, and Bioinformatics, 2008
AbstractProtein stability and solubility depend strongly on the presence of osmolytes, because of the protein preference to be solvated by either water or osmolyte. It has traditionally been assumed that only this relative preference can be measured, and that the individual solvation contributions of water and osmolyte are inaccessible.
Matthew, Auton +2 more
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AbstractProtein stability and solubility depend strongly on the presence of osmolytes, because of the protein preference to be solvated by either water or osmolyte. It has traditionally been assumed that only this relative preference can be measured, and that the individual solvation contributions of water and osmolyte are inaccessible.
Matthew, Auton +2 more
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Solvation Thermodynamics Revisited
Most chemical and biochemical reactions occur in solution; however, many details of the thermodynamics of solvation are not well understood, especially with regard to the role of energy and entropy in the solvation process. Currently, a prevailing view in the field is that the solvation free energy is fully determined by solute-solvent interactions ...Ward H. Thompson +3 more
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A thermodynamic analysis of solvation in dipolar liquids
The Journal of Chemical Physics, 1996The chemical potential of infinitely dilute dipole solvation is dissected into parts of cavity formation, dispersion forces, and dipolar interactions. It is this latter part whose treatment is improved here over previous models by applying the Padé approximation for the perturbation expansion. In this way allowance is made for local solvent structuring
Dmitry V. Matyushov, Roland Schmid
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Solvation Thermodynamics of Biopolymers
1993For any biochemical process taking place in aqueous medium one can view the Gibbs energy change (or any other thermodynamic quantity) as comprising two contributions: one originating from the solutes involved in the process, and the second including all possible solvent effects. Thus, we write $$\Delta {G^\ell } = \Delta {G^g} + \delta G$$ (14.1)
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Thermodynamics of solutions of methanol and solvating components
Thermochimica Acta, 1982Abstract A model is proposed to correlate the excess Gibbs free energies and excess enthalpies of binary solutions of methanol and a solvating component. Solution nonideality from ideal solutions is given by the sum of the chemical contribution term, which is due to self-association of methanol and solvation between methanol and a nonassociating ...
Isamu Nagata, Kazuhiro Tamura
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